N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide

C19H19FN4O — CID 78896587

IUPACN-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)N1CCCCCC1c1ccncc1
InChIInChI=1S/C19H19FN4O/c20-16-5-6-17(15(12-16)13-21)23-19(25)24-11-3-1-2-4-18(24)14-7-9-22-10-8-14/h5-10,12,18H,1-4,11H2,(H,23,25)
InChIKeyOMAPGENCDCZBJV-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.24
Rot. Bonds2

About N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide

N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide (PubChem CID 78896587) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide
PubChem CID78896587
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESN#Cc1cc(F)ccc1NC(=O)N1CCCCCC1c1ccncc1
InChIInChI=1S/C19H19FN4O/c20-16-5-6-17(15(12-16)13-21)23-19(25)24-11-3-1-2-4-18(24)14-7-9-22-10-8-14/h5-10,12,18H,1-4,11H2,(H,23,25)
InChIKeyOMAPGENCDCZBJV-UHFFFAOYSA-N
XLogP4.24
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
N-(2-cyano-4-fluorophenyl)pyrrolidine-1-carboxamide
CID 78839911
(2R)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076835
1-[(2-cyano-4-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82015860
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028
(2S)-N'-(4-fluorobenzoyl)-2-pyridin-4-ylpyrrolidine-1-carbohydrazide
CID 94336529
1-[(2-cyano-4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 82017015
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
1-[(2-cyano-4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782955
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873
N-(4-cyanophenyl)-2-oxo-2-[(2R)-2-pyridin-4-ylazepan-1-yl]acetamide
CID 129402957

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide (CID 78896587) is N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide is N#Cc1cc(F)ccc1NC(=O)N1CCCCCC1c1ccncc1.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide?
The InChIKey is OMAPGENCDCZBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-16-5-6-17(15(12-16)13-21)23-19(25)24-11-3-1-2-4-18(24)14-7-9-22-10-8-14/h5-10,12,18H,1-4,11H2,(H,23,25).
What are the key properties of N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide?
N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-2-pyridin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 78896587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).